2-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]-3H-Pyrimidin-4-One
[CAS# 3601-73-8]

Identification

• Name: 2-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]-3H-Pyrimidin-4-One
• Synonyms: 2-[4-(1,3-Benzodioxol-5-Ylmethyl)-1-Piperazinyl]-3H-Pyrimidin-4-One; 1-(3,4-Methylenedioxybenzyl)-4-(4-Hydroxy-2-Pyrimidyl)Piperazine; 2-(4-Piperonyl-1-Piperazinyl)4-Pyrimidinol
• Molecular Formula: C₁₆H₁₈N₄O₃
• Molecular Weight: 314.34
• CAS Registry Number: 3601-73-8
• SMILES: C3=C(CN1CCN(CC1)C2=NC=CC(=O)N2)C=CC4=C3OCO4
• InChI: 1S/C16H18N4O3/c21-15-3-4-17-16(18-15)20-7-5-19(6-8-20)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2,(H,17,18,21)
• InChIKey: AULQVXZKKOEICL-UHFFFAOYSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 523.2°C at 760 mmHg (Cal.)
• Flash point: 270.2°C (Cal.)